Structure of PDB 1uc3 Chain E Binding Site BS01
Receptor Information
>1uc3 Chain E (length=149) Species:
7748
(Lampetra fluviatilis) [
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PIVDSGSVAPLSAAEKTKIRSAWAPVYSNYETSGVDILVKFFTSTPAAQE
FFPKFKGMTSADQLKKSADVRWHAERIINAVNDAVASMDDTEKMSMKLRD
LSGKHAKSFQVDPQYFKVLAAVIADTVAAGDAGFEKLMSMICILLRSAY
Ligand information
Ligand ID
HEM
InChI
InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385
CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01
C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
1uc3 Chain E Residue 150 [
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Receptor-Ligand Complex Structure
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PDB
1uc3
Crystal structure analysis of river lamprey hemoglobin I
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
F52 K54 H73 R76 I77 L101 K104 H105 F109 Y115 F116 L119 L145
Binding residue
(residue number reindexed from 1)
F52 K54 H73 R76 I77 L101 K104 H105 F109 Y115 F116 L119 L145
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005344
oxygen carrier activity
GO:0005506
iron ion binding
GO:0016491
oxidoreductase activity
GO:0019825
oxygen binding
GO:0020037
heme binding
GO:0046872
metal ion binding
Biological Process
GO:0015671
oxygen transport
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:1uc3
,
PDBe:1uc3
,
PDBj:1uc3
PDBsum
1uc3
PubMed
UniProt
P02207
|GLB_LAMFL Globin
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